1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene

C24H7F35O — CID 167303617

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H7F35O/c1-8(25,26)11(31,32)14(37,38)15(39,40)12(33,34)9(27,28)6-2-4-7(5-3-6)10(29,30)13(35,36)16(41,42)17(43,44)18(45,46)19(47,48)20(49,50)24(58,59)60-21(51,22(52,53)54)23(55,56)57/h2-5H,1H3
InChIKeyJOCWPETUTOMXGV-UHFFFAOYSA-N
MW976.25 g/mol
LogP13.28
Rot. Bonds16

About 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene

1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene (PubChem CID 167303617) has the molecular formula C24H7F35O and a molecular weight of 976.25 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene
PubChem CID167303617
Molecular FormulaC24H7F35O
Molecular Weight976.25 g/mol
Exact Mass975.99
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H7F35O/c1-8(25,26)11(31,32)14(37,38)15(39,40)12(33,34)9(27,28)6-2-4-7(5-3-6)10(29,30)13(35,36)16(41,42)17(43,44)18(45,46)19(47,48)20(49,50)24(58,59)60-21(51,22(52,53)54)23(55,56)57/h2-5H,1H3
InChIKeyJOCWPETUTOMXGV-UHFFFAOYSA-N
XLogP13.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.25
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene (CID 167303617) is 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene?
The InChIKey is JOCWPETUTOMXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H7F35O/c1-8(25,26)11(31,32)14(37,38)15(39,40)12(33,34)9(27,28)6-2-4-7(5-3-6)10(29,30)13(35,36)16(41,42)17(43,44)18(45,46)19(47,48)20(49,50)24(58,59)60-21(51,22(52,53)54)23(55,56)57/h2-5H,1H3.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene?
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene has a molecular weight of 976.25 g/mol, XLogP of 13.28, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene is sourced from PubChem (CID 167303617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).